Biological applications of fullerenes are severely impeded by our incomplete understanding of their toxicity. Here we extend a recently developed computational method to gain insight into the behavior of fullerenes in lipid bilayer systems. The physical behavior of fullerenes is captured through a continuum model incorporating both their hollow geometry and surface chemistry. By using this mode...

We use structure-optimization techniques to study the equilibrium packing of fullerenes in carbon nanotube peapods. Our results for nanotubes containing Cn fullerenes with 60ønø84 atoms indicate that the fullerenes are more densely packed in the nanotubes than in the bulk crystal, in agreement with experimental data. We find that the reduction of the interfullerene distance, as well as a struct...

The antioxidative effect of fullerenes C(60) and C(70) was examined by measuring the inhibition of methyl linoleate (MeL) peroxidation in toluene initiated by 2,2'-azobis(2,4-dimethylvaleronitrile) (AMVN). The fullerenes retarded the formation of MeL hydroperoxides and lowered the rate of propagation. The reaction rates of fullerenes with AMVN-derived peroxyl radicals were much higher than that...

Fullerenes are molecules of carbon that are modeled by trivalent plane graphs with only pentagonal and hexagonal faces. Scaling up a fullerene gives a notion of similarity, and fullerenes are partitioned into similarity classes. In this expository article, we illustrate how the values of two important fullerene parameters can be deduced for all fullerenes in a similarity class by computing the ...

The energetics of large-sized fullerenes and carbon nanotubes is investigated through first-principles pseudopotential calculations for the carbon cluster of CN (60<N<540). The strain energy due to the presence of pentagons, in addition to the curvature effect, makes an important contribution to the energetics of the fullerenes and nanotubes and accurately describes the N dependence of the ener...

The hollow inside of single-wall carbon nanotubes (SWCNT) provides a unique degree of freedom to investigate chemical reactions inside this confined environment and to study the tube properties. It is reviewed herein, how encapsulating fullerenes, magnetic fullerenes, C isotope enriched fullerenes and organic solvents inside SWCNTs enables to yield unprecedented insight into their electronic, o...

Electron transport properties of B-fullerenes, B80 and B100, are investigated with the use of the first-principles density functional theory (DFT), in conjunction with the Landauer-Büttiker formalism and compared with C-fullerene, C60, under similar conditions. The differential conductance and the tunnel current for B-fullerenes sandwiched between Au contacts are calculated to be much higher th...

Both fullerenes and single-walled carbon nanotubes (SWNTs) exhibit many advantageous properties. Despite the similarities between these two forms of carbon, there have been very few attempts to physically merge them. We have discovered a novel hybrid material that combines fullerenes and SWNTs into a single structure in which the fullerenes are covalently bonded to the outer surface of the SWNT...

We explore some generalizations of fullerenes Fv (simple polyhedra with v vertices and only 5and -gonal faces) seen as (d−1)dimensional simple manifolds (preferably, spherical or polytopal) with only 5and 6-gonal 2-faces. First, finite and planar (infinite) 3-fullerenes are described. Three infinite families of spherical 4fullerenes are presented in Sections 4-6. The Construction A gives 4-poly...

Individual fullerene molecules were observed and sized using high resolution transmission electron microscopy. Fullerene C60 molecules were tethered by chemical bonding to carbon black particles to facilitate HRTEM imaging and sizing of known fullerenes. HRTEM analysis of soot samples from a fullerene-forming flame revealed the presence of a range of fullerenes from C36 to C176 and larger fulle...